5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-nitrophenyl)oxazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-nitrophenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-nitrophenyl)-5-(piperonylamino)oxazole-4-carbonitrile Formula: C18H12N4O5 MolecularWeight: 364.31168

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(N=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(N=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H12N4O5/c19-8-14-18(20-9-11-1-6-15-16(7-11)26-10-25-15)27-17(21-14)12-2-4-13(5-3-12)22(23)24/h1-7,20H,9-10H2